N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4-(propan-2-ylcarbamoylamino)benzamide

C19H22N4O3 — CID 47090922

IUPACN-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4-(propan-2-ylcarbamoylamino)benzamide
SMILESCC(C)NC(=O)Nc1ccc(C(=O)N(CCC#N)Cc2ccco2)cc1
InChIInChI=1S/C19H22N4O3/c1-14(2)21-19(25)22-16-8-6-15(7-9-16)18(24)23(11-4-10-20)13-17-5-3-12-26-17/h3,5-9,12,14H,4,11,13H2,1-2H3,(H2,21,22,25)
InChIKeyORALKGBQNHDRCM-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.37
Rot. Bonds7

About N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4-(propan-2-ylcarbamoylamino)benzamide

N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4-(propan-2-ylcarbamoylamino)benzamide (PubChem CID 47090922) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4-(propan-2-ylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4-(propan-2-ylcarbamoylamino)benzamide
PubChem CID47090922
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC NameN-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4-(propan-2-ylcarbamoylamino)benzamide
SMILESCC(C)NC(=O)Nc1ccc(C(=O)N(CCC#N)Cc2ccco2)cc1
InChIInChI=1S/C19H22N4O3/c1-14(2)21-19(25)22-16-8-6-15(7-9-16)18(24)23(11-4-10-20)13-17-5-3-12-26-17/h3,5-9,12,14H,4,11,13H2,1-2H3,(H2,21,22,25)
InChIKeyORALKGBQNHDRCM-UHFFFAOYSA-N
XLogP3.37
TPSA98.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide
CID 60519774
4-(chloromethyl)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide
CID 60948719
4-(bromomethyl)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide
CID 102851366
3,5-dibromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide
CID 103908367
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide
CID 60654683
3-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide
CID 60654625
2-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)furan-3-carboxamide
CID 106853587
3-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-methylpropanamide
CID 62670366
4-(carbamoylamino)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)benzamide
CID 32993957
2-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide
CID 63679913
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide
CID 60520035
2-(tert-butylamino)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide
CID 78923666

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4-(propan-2-ylcarbamoylamino)benzamide?
The IUPAC name of N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4-(propan-2-ylcarbamoylamino)benzamide (CID 47090922) is N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4-(propan-2-ylcarbamoylamino)benzamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4-(propan-2-ylcarbamoylamino)benzamide?
The canonical SMILES for N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4-(propan-2-ylcarbamoylamino)benzamide is CC(C)NC(=O)Nc1ccc(C(=O)N(CCC#N)Cc2ccco2)cc1.
What is the InChIKey of N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4-(propan-2-ylcarbamoylamino)benzamide?
The InChIKey is ORALKGBQNHDRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-14(2)21-19(25)22-16-8-6-15(7-9-16)18(24)23(11-4-10-20)13-17-5-3-12-26-17/h3,5-9,12,14H,4,11,13H2,1-2H3,(H2,21,22,25).
What are the key properties of N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4-(propan-2-ylcarbamoylamino)benzamide?
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4-(propan-2-ylcarbamoylamino)benzamide has a molecular weight of 354.41 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4-(propan-2-ylcarbamoylamino)benzamide is sourced from PubChem (CID 47090922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).